기본 정보
- CAS
673-32-5- 표준 SMILES
CC#Cc1ccccc1- InChIKey
GHUURDQYRGVEHX-UHFFFAOYSA-N- 분자식
- C9H8
- 평균 분자량
- 116.16 g/mol
- 단동위원소 질량
- 116.06260026
이름 및 식별자
- 우선 이름
- Methylphenylacetylene
- IUPAC
- prop-1-ynylbenzene
- 영어명
- 1-Phenyl-1-propyne
- 분자식
- C9H8
- 분자량
- 116.16
이름 및 동의어
1-Phenyl-1-propyne673-32-5Methylphenylacetylene448376BFQCDTXSID10217667RefChem:435501DTXCID60140158211-607-7Prop-1-yn-1-ylbenzeneProp-1-ynylbenzeneBenzene, 1-propynyl-1-Phenylpropyne
이름 더 보기
3-Phenyl-2-propynePhenylmethylacetylene1-PHENYLPROPYNE-1Methylphenylethyne
1-PropynylbenzeneMFCD000092721-Methyl-2-phenylacetyleneProp-1-ynyl-benzenephenylpropyneBenzene, 2-propyn-1-yl-1-penyl-1-propine(prop-1-yn-1-yl)benzene
데이터베이스 식별자
- CAS
673-32-5- PubChem CID
- 69601
- DTXSID
DTXSID10217667- ChEMBL
CHEMBL105998- UNII
- 448376BFQC
- EC Number
- 211-607-7
- Nikkaji
- J101.015H、J2.159.285D
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 127
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 185 °C · 185 °C (lit.)
- 밀도
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.564(lit.)
- 인화점
- 144 °F · 144 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- Specific Gravity
- 0.939 · 0.939
- 색상
- 맑은 노란색
- 수용성
- 물(0.26g/L)(25°C)에 난용성입니다.
- BRN
- 1071474 · 1071474
- InChI
- InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
- InChIKey
- GHUURDQYRGVEHX-UHFFFAOYSA-N
- SMILES
- C1(C#CC)=CC=CC=C1
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Phenylacetylene.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- 1993
- HS 번호
- 29029090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도1-Phenyl-1-propyne is used as a intermediate for phrama industry and chemical research.
일반 설명Co-catalyzed reaction between cyclopentene and 1-phenyl-1-propyne has been reported. Bonding properties of 1-phenyl-1-propyne on Cu(111) at 100K have been studied using temperature-programmed desorption and X-ray, ultraviolet and two-photon photoemission spectroscopies. 1-Phenyl-1-propyne is an inhibitor of dopamine beta-hydroxylase. Polymerization of 1-phenyl-1-propyne by TaCl5 and NbCl5 has been reported.
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상류 원료
하류 제품
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